CID 6438249
8-propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride
Structural Information
- Molecular Formula
- C21H30N2O4
- SMILES
- CCC(=O)N1C2CCC1CN(C2)C/C=C/C3=CC(=C(C(=C3)OC)OC)OC
- InChI
- InChI=1S/C21H30N2O4/c1-5-20(24)23-16-8-9-17(23)14-22(13-16)10-6-7-15-11-18(25-2)21(27-4)19(12-15)26-3/h6-7,11-12,16-17H,5,8-10,13-14H2,1-4H3/b7-6+
- InChIKey
- YQKBISLRRSGLDV-VOTSOKGWSA-N
- Compound name
- 1-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 375.22783 | 193.6 |
[M+Na]+ | 397.20977 | 199.0 |
[M-H]- | 373.21327 | 196.1 |
[M+NH4]+ | 392.25437 | 206.7 |
[M+K]+ | 413.18371 | 195.2 |
[M+H-H2O]+ | 357.21781 | 184.9 |
[M+HCOO]- | 419.21875 | 207.5 |
[M+CH3COO]- | 433.23440 | 220.4 |
[M+Na-2H]- | 395.19522 | 190.8 |
[M]+ | 374.22000 | 197.3 |
[M]- | 374.22110 | 197.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.